2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid

C16H20FNO3 — CID 66973003

IUPAC2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid
SMILESCc1ccc(C2CCC(C)(C)C(=O)N2CC(=O)O)cc1F
InChIInChI=1S/C16H20FNO3/c1-10-4-5-11(8-12(10)17)13-6-7-16(2,3)15(21)18(13)9-14(19)20/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyDGKZBELXLPZNEU-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.91
Rot. Bonds3

About 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid

2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid (PubChem CID 66973003) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid
PubChem CID66973003
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid
SMILESCc1ccc(C2CCC(C)(C)C(=O)N2CC(=O)O)cc1F
InChIInChI=1S/C16H20FNO3/c1-10-4-5-11(8-12(10)17)13-6-7-16(2,3)15(21)18(13)9-14(19)20/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,20)
InChIKeyDGKZBELXLPZNEU-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid?
The IUPAC name of 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid (CID 66973003) is 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid is Cc1ccc(C2CCC(C)(C)C(=O)N2CC(=O)O)cc1F.
What is the InChIKey of 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid?
The InChIKey is DGKZBELXLPZNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10-4-5-11(8-12(10)17)13-6-7-16(2,3)15(21)18(13)9-14(19)20/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid?
2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoro-4-methylphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]acetic acid is sourced from PubChem (CID 66973003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).